SCHEMBL29595641

SCHEMBL29595641

O=C1CCc2ccc(OC3CCNCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
ROCK1 Q13464 6/20 0.49
ROCK2 O75116 1/20 0.49
PRKACA P17612 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKG1 Q13976 1/20 0.49
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
CDC42BPA Q5VT25 1/20 0.49
Q6ZSR9 Q6ZSR9 1/20 0.49
BMP2K Q9NSY1 1/20 0.49
CDC42BPB Q9Y5S2 1/20 0.49
HRH1 P35367 2/20 0.46
IKBKB O14920 1/20 0.45
TIPARP Q7Z3E1 1/20 0.44
PBRM1 Q86U86 1/20 0.42
PARP1 P09874 1/20 0.42
PRKCZ Q05513 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20324715 1.00 HRH3 (0.50) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL20324756 0.92 HRH3 (0.51) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL10683820 0.88 ROCK1 (0.52) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL8597524 0.86 HRH3 (0.49) HRH3PBRM1
SCHEMBL21461282 0.80 HRH3 (0.51) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL20324758 0.79 HRH3 (0.53) HRH3PARP1
SCHEMBL1794738 0.78 ROCK1 (0.54) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL29595567 0.78 ROCK1 (0.45) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL20324926 0.78 ROCK1 (0.45) HRH3ROCK1ROCK2PRKACAPRKCD
SCHEMBL21461296 0.77 MAOA (0.52) HRH3ROCK1ROCK2PRKACAPRKCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 HRH3 112/4885ROCK1 2275/4885ROCK2 1984/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.